Geometry & MOs

Info

ID:	178190
PubChem CID:	76291691
Reduced:	ClSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-90.78
Dipole, Da:	8.21
IP(EA), eV:	-8.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CN(C(=O)C=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations